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2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole - 97%, high purity , CAS No.33575-83-6

COA

Grade & Purity:

≥97%

Cas Number: 33575-83-6
Molecular Weight: 194.62
MDL number: MFCD00466332
PubChem CID: 314941
PubChem SID: 488189450

In stock

Item Number

C169672

Grouped product items
SKU	Size	Availability	Price
C169672-100mg	100mg	10	$26.90
C169672-250mg	250mg	7	$51.90
C169672-1g	1g	5	$159.90

Basic Description

Synonyms	2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole \| 33575-83-6 \| 2-Chloromethyl-5-phenyl-[1,3,4]oxadiazole \| 2-Chloromethyl-5-phenyl-1,3,4-oxadiazole \| MLS000564019 \| SMR000175986 \| 1,3,4-Oxadiazole, 2-(chloromethyl)-5-phenyl- \| NSC235938 \| Enamine_005035 \| SCHEMBL485159 \| cid_3149
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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HepG2 (196354 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488189450
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189450
IUPAC Name	2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole
INCHI	InChI=1S/C9H7ClN2O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey	AGLNTFQAHIRTFA-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NN=C(O2)CCl
Isomeric SMILES	C1=CC=C(C=C1)C2=NN=C(O2)CCl
WGK Germany	3
Molecular Weight	194.62
Reaxy-Rn	610569
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610569&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
C2023057	Certificate of Analysis	Jan 04, 2024	C169672
D2328156	Certificate of Analysis	Apr 06, 2023	C169672
D2328157	Certificate of Analysis	Apr 06, 2023	C169672
D2328149	Certificate of Analysis	Apr 06, 2023	C169672
D2328146	Certificate of Analysis	Apr 06, 2023	C169672
D2328145	Certificate of Analysis	Apr 06, 2023	C169672
L2212431	Certificate of Analysis	Dec 30, 2022	C169672

Chemical and Physical Properties

Molecular Weight	194.620 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	194.025 Da
Monoisotopic Mass	194.025 Da
Topological Polar Surface Area	38.900 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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